(2S)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate

Systemtic Name: (2S)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)phenyl]carbonylamino]ethanoate Openeye Name: (2S)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[[4-(diethylsulfamoyl)phenyl]-oxomethyl]amino]acetate IUPAC Name: (2S)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate Formula: C23H31N2O5S- MolecularWeight: 447.56764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C(=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N[C@H](C(=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O5S/c1-3-25(4-2)31(29,30)19-7-5-18(6-8-19)21(26)24-20(22(27)28)23-12-15-9-16(13-23)11-17(10-15)14-23/h5-8,15-17,20H,3-4,9-14H2,1-2H3,(H,24,26)(H,27,28)/p-1/t15?,16?,17?,20-,23?/m1/s1